Molecule card · MolClass #51099
17408711
17408711: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 17408711Mitochondrial Fusion · compound_name
- MolClass ID
- 51099
- InChIKey
- NWVHYBRYCFNRLU-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CSc2ncnc1c(nsc12)c3ccc(cc3)Cl)c4ccccc4
- Standard InChI
- InChI=1S/C19H12ClN3OS2/c20-14-8-6-13(7-9-14)16-17-18(26-23-16)19(22-11-21-17)25-10-15(24)12-4-2-1-3-5-12/h1-9,11H,10H2
- Stored Murcko scaffold
- n1sc2c(ncnc2c1-c3ccccc3)SC[CH]c4ccccc4
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 397.904 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.541
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 17408711